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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:pedunculosumoside E
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Accession:CHEBI:67877 term browser browse the term
Definition:A homoflavonoid glycoside that is ophioglonol attached to a 2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyl and beta-D-glucopyranosyl residues at positions 7 and 4' respectively via glycosidic linkages. It has been isolated from the whole plants of Ophioglossum pedunculosum.
Synonyms:exact_synonym: 2-[4-(beta-D-glucopyranosyloxy)-3-hydroxyphenyl]-5-hydroxy-3-(hydroxymethyl)-4-oxo-4H-chromen-7-yl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
 related_synonym: Formula=C34H42O22;   InChI=1S/C34H42O22/c35-6-12-21(41)20-14(40)4-11(50-34-31(27(47)24(44)19(9-38)55-34)56-33-29(49)26(46)23(43)18(8-37)54-33)5-16(20)51-30(12)10-1-2-15(13(39)3-10)52-32-28(48)25(45)22(42)17(7-36)53-32/h1-5,17-19,22-29,31-40,42-49H,6-9H2/t17-,18-,19-,22-,23-,24-,25+,26+,27+,28-,29-,31-,32-,33+,34-/m1/s1;   InChIKey=MGXHVYURWVASGT-JGKQFCEOSA-N;   SMILES=OC[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)oc(-c3ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c(O)c3)c(CO)c4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O;   ophioglonol 7-O-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl-4'-O-beta-D-glucopyranoside
 xref: PMID:21401115;   Reaxys:21523328


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  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            pedunculosumoside E 0
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  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            heteroorganic entity 19294
                              organochalcogen compound 19064
                                organooxygen compound 19014
                                  carbohydrates and carbohydrate derivatives 12341
                                    carbohydrate 12341
                                      monosaccharide 4297
                                        aldose 2671
                                          aldohexose 2309
                                            glucose 2272
                                              D-glucose 2272
                                                D-glucopyranose 1740
                                                  beta-D-glucose 1605
                                                    beta-D-glucoside 1412
                                                      pedunculosumoside E 0
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